CFam Chemical Families Database
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You are searching for "CFAMM00162849" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00162849
Family CFFCD521 Aurora kinase B and Aurora kinase C Inhibitor GSK1070916 Family
Superfamily CFSCD282 Aurora kinase B and Aurora kinase C Binder Superfamily
Class CFCCD211 Class 1024
External ID CHEMBL512839 External Source CHEMBL
PubChem CID 44560448 Functional Category Bioactive
Molecule Name AGN-PC-078UPI
IUPAC Name 1-[4-[4-amino-8-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrimidin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
Synonyms CHEBI:547675;1-[4-[4-amino-8-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrimidin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
InChi InChI=1S/C25H19F4N7O/c1-35-13-15(11-32-35)18-8-9-36-22(30)19(12-31-23(18)36)14-2-5-17(6-3-14)33-24(37)34-21-10-16(25(27,28)29)4-7-20(21)26/h2-13H,30H2,1H3,(H2,33,34,37)
InChiKey AOYIJCJRPUFKNH-UHFFFAOYSA-N
Formula C25H19F4N7O Molecular Weight 509.46
Cross Link CHEMBL512839
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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